1,2-bis(methoxymethoxy)-3-phenylbenzene

C16H18O4 — CID 11000249

IUPAC1,2-bis(methoxymethoxy)-3-phenylbenzene
SMILESCOCOc1cccc(-c2ccccc2)c1OCOC
InChIInChI=1S/C16H18O4/c1-17-11-19-15-10-6-9-14(16(15)20-12-18-2)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyGSJNJLBAAHFXCI-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.32
Rot. Bonds7

About 1,2-bis(methoxymethoxy)-3-phenylbenzene

1,2-bis(methoxymethoxy)-3-phenylbenzene (PubChem CID 11000249) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,2-bis(methoxymethoxy)-3-phenylbenzene.

Molecular Properties

Compound Name1,2-bis(methoxymethoxy)-3-phenylbenzene
PubChem CID11000249
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1,2-bis(methoxymethoxy)-3-phenylbenzene
SMILESCOCOc1cccc(-c2ccccc2)c1OCOC
InChIInChI=1S/C16H18O4/c1-17-11-19-15-10-6-9-14(16(15)20-12-18-2)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyGSJNJLBAAHFXCI-UHFFFAOYSA-N
XLogP3.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,2-bis(methoxymethoxy)-3-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(methoxymethoxy)phenyl]-2,3-dimethyl-4-phenylbenzene
CID 151399020
1-(methoxymethoxy)-9,10-diphenylanthracene
CID 15173786
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
2-methoxy-1,3-diphenylbenzene
CID 23524590
4-(methoxymethoxy)-1-benzothiophene
CID 22729028
1-ethynyl-2,3-bis(methoxymethoxy)benzene
CID 24745561
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234
9,10-bis(methoxymethoxy)anthracene
CID 150706504
trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide
CID 146165783
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
1-iodo-3-[3-iodo-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)benzene
CID 139094627

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methoxymethoxy)-3-phenylbenzene?
The IUPAC name of 1,2-bis(methoxymethoxy)-3-phenylbenzene (CID 11000249) is 1,2-bis(methoxymethoxy)-3-phenylbenzene.
What is the SMILES notation for 1,2-bis(methoxymethoxy)-3-phenylbenzene?
The canonical SMILES for 1,2-bis(methoxymethoxy)-3-phenylbenzene is COCOc1cccc(-c2ccccc2)c1OCOC.
What is the InChIKey of 1,2-bis(methoxymethoxy)-3-phenylbenzene?
The InChIKey is GSJNJLBAAHFXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-17-11-19-15-10-6-9-14(16(15)20-12-18-2)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 1,2-bis(methoxymethoxy)-3-phenylbenzene?
1,2-bis(methoxymethoxy)-3-phenylbenzene has a molecular weight of 274.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methoxymethoxy)-3-phenylbenzene is sourced from PubChem (CID 11000249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).